2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid

C14H23BO2 — CID 123979251

IUPAC2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid
SMILESCC(C)C(C)(C)OB(O)CCc1ccccc1
InChIInChI=1S/C14H23BO2/c1-12(2)14(3,4)17-15(16)11-10-13-8-6-5-7-9-13/h5-9,12,16H,10-11H2,1-4H3
InChIKeyFLMLVJZZUGBQNI-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.16
Rot. Bonds6

About 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid

2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid (PubChem CID 123979251) has the molecular formula C14H23BO2 and a molecular weight of 234.15 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid
PubChem CID123979251
Molecular FormulaC14H23BO2
Molecular Weight234.15 g/mol
Exact Mass234.18
IUPAC Name2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid
SMILESCC(C)C(C)(C)OB(O)CCc1ccccc1
InChIInChI=1S/C14H23BO2/c1-12(2)14(3,4)17-15(16)11-10-13-8-6-5-7-9-13/h5-9,12,16H,10-11H2,1-4H3
InChIKeyFLMLVJZZUGBQNI-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butyl(2,3-dimethylbutan-2-yloxy)borinic acid
CID 123856828
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
3-methylpentan-3-yl (2S)-2-amino-4-phenylbutanoate
CID 67623648
tert-butyl 3-hydroxy-4-methyl-3-(2-phenylethyl)pentanoate
CID 54454265
3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
2-methoxy-2-methyl-6-phenylhexan-3-amine
CID 79197663
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086
(2R)-4-phenylbutane-2-thiol
CID 28974861
3-ethyl-4-methyl-1-phenylpentan-3-amine
CID 60922905

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid?
The IUPAC name of 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid (CID 123979251) is 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid.
What is the SMILES notation for 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid?
The canonical SMILES for 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid is CC(C)C(C)(C)OB(O)CCc1ccccc1.
What is the InChIKey of 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid?
The InChIKey is FLMLVJZZUGBQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BO2/c1-12(2)14(3,4)17-15(16)11-10-13-8-6-5-7-9-13/h5-9,12,16H,10-11H2,1-4H3.
What are the key properties of 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid?
2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid has a molecular weight of 234.15 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yloxy(2-phenylethyl)borinic acid is sourced from PubChem (CID 123979251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).